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(S)-4-((E)-3-Dodec-1-enyl)-benzoyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
SpectraBase Compound ID 3HpaOPU5CDY
InChI InChI=1S/C29H45NO4/c1-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(21-23)26(31)25-22-33-29(5,6)30(25)27(32)34-28(2,3)4/h16-21,25H,7-15,22H2,1-6H3/b18-16+/t25-/m0/s1
InChIKey CGAIUFLVHHCNMH-LEJURUINSA-N
Mol Weight 471.7 g/mol
Molecular Formula C29H45NO4
Exact Mass 471.334859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UwH4VJH82y
Name (S)-4-((E)-3-Dodec-1-enyl)-benzoyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
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Formula C29H45NO4
InChI InChI=1S/C29H45NO4/c1-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(21-23)26(31)25-22-33-29(5,6)30(25)27(32)34-28(2,3)4/h16-21,25H,7-15,22H2,1-6H3/b18-16+/t25-/m0/s1
InChIKey CGAIUFLVHHCNMH-LEJURUINSA-N
Molecular Weight 471.682 g/mol
SMILES C(N1[C@](C(c2cc(\C=C\CCCCCCCCCC)ccc2)=O)(COC1(C)C)[H])(OC(C)(C)C)=O
SPLASH splash10-0udi-4970000000-be90c05f7f95bfd42cbf
Source of Spectrum F4-41-764-20
Synonyms tert-Butyl (4S,1'R)-4-(3-Dodec-1-enylbenzoyl)-2,2-dimethyl-3-oxazolinecarboxylate
Wiley ID 1672080